2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid

C7H10N2O4 — CID 71410124

IUPAC2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid
SMILESO=C(O)CC1OCC2NC(=O)NC21
InChIInChI=1S/C7H10N2O4/c10-5(11)1-4-6-3(2-13-4)8-7(12)9-6/h3-4,6H,1-2H2,(H,10,11)(H2,8,9,12)
InChIKeyJCLDXKOMOWTGQG-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.09
Rot. Bonds2

About 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid

2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid (PubChem CID 71410124) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid
PubChem CID71410124
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid
SMILESO=C(O)CC1OCC2NC(=O)NC21
InChIInChI=1S/C7H10N2O4/c10-5(11)1-4-6-3(2-13-4)8-7(12)9-6/h3-4,6H,1-2H2,(H,10,11)(H2,8,9,12)
InChIKeyJCLDXKOMOWTGQG-UHFFFAOYSA-N
XLogP-1.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid (CID 71410124) is 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid is O=C(O)CC1OCC2NC(=O)NC21.
What is the InChIKey of 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid?
The InChIKey is JCLDXKOMOWTGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-5(11)1-4-6-3(2-13-4)8-7(12)9-6/h3-4,6H,1-2H2,(H,10,11)(H2,8,9,12).
What are the key properties of 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid?
2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid has a molecular weight of 186.17 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid is sourced from PubChem (CID 71410124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).